Difference between revisions of "SJ12861"

Revision as of 09:23, 27 August 2019

common-name:
- 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
smiles:
- cc(c)=cccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c([o-])=o)c(o)ccc(c)1c=2ccc(c)34))))
inchi-key:
- jhiwifrqjxlneu-gsqagghasa-m
molecular-weight:
- 427.646

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17347 CPD-17347] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4702 CPD-4702] ==
 * common-name:
-** (3r)-hydroxy-(11z,14z)-icosa-11,14-dienoyl-coa
+** 4&alpha;-carboxy-5&alpha;-cholesta-8,24-dien-3&beta;-ol
 * smiles:
-** cccccc=ccc=ccccccccc(o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
+** cc(c)=cccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c([o-])=o)c(o)ccc(c)1c=2ccc(c)34))))
 * inchi-key:
-** mntslnsvzacncx-jpddaygwsa-j
+** jhiwifrqjxlneu-gsqagghasa-m
 * molecular-weight:
-** 1069.99
+** 427.646
 == Reaction(s) known to consume the compound ==
-* [[RXN-16096]]
+* [[RXN66-318]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16095]]
+* [[RXN-13709]]
+* [[RXN-13709-4-METHYL-824-CHOLESTADIENOL/NADH/OXYGEN-MOLECULE/PROTON//CPD-4702/NAD/WATER.76.]]
+* [[RXN-13709-4-METHYL-824-CHOLESTADIENOL/NADPH/OXYGEN-MOLECULE/PROTON//CPD-4702/NADP/WATER.78.]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3r)-hydroxy-(11z,14z)-icosa-11,14-dienoyl-coa}}
+{{#set: common-name=4&alpha;-carboxy-5&alpha;-cholesta-8,24-dien-3&beta;-ol}}
-{{#set: inchi-key=inchikey=mntslnsvzacncx-jpddaygwsa-j}}
+{{#set: inchi-key=inchikey=jhiwifrqjxlneu-gsqagghasa-m}}
-{{#set: molecular-weight=1069.99}}
+{{#set: molecular-weight=427.646}}